ZOP
Summary
| Name: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE |
| Formula: | C31 H34 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 494.627 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3Z)-N-ethyl-N-methyl-2-oxo-3-(phenyl{[4-(piperidin-1-ylmethyl)phenyl]amino}methylidene)-2,3-dihydro-1H-indole-6-carboxamide |
| OpenEye OEToolkits | 1.6.1 | (3Z)-N-ethyl-N-methyl-2-oxo-3-[phenyl-[[4-(piperidin-1-ylmethyl)phenyl]amino]methylidene]-1H-indole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(CC)C)c1cc2c(cc1)/C(C(=O)N2)=C(\c3ccccc3)Nc4ccc(cc4)CN5CCCCC5 |
| SMILES_CANONICAL | CACTVS | 3.352 | CCN(C)C(=O)c1ccc/2c(NC(=O)C/2=C(/Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c1 |
| SMILES | CACTVS | 3.352 | CCN(C)C(=O)c1ccc2c(NC(=O)C2=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CCN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccccc3)\Nc4ccc(cc4)CN5CCCCC5 |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)CN5CCCCC5 |
| InChI | InChI | 1.03 | InChI=1S/C31H34N4O2/c1-3-34(2)31(37)24-14-17-26-27(20-24)33-30(36)28(26)29(23-10-6-4-7-11-23)32-25-15-12-22(13-16-25)21-35-18-8-5-9-19-35/h4,6-7,10-17,20,32H,3,5,8-9,18-19,21H2,1-2H3,(H,33,36)/b29-28- |
| InChIKey | InChI | 1.03 | MUSRTIADFPCYTQ-ZIADKAODSA-N |
